Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 20 results

Search term: PNKLMTPXERFKEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8269366

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
C22H32O8424.4847293900
17340094

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20?,21+,22?/m0/s1
C22H32O8424.4847138900
285297

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+/m0/s1
C22H32O8424.484712900
28475192

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19?,20?,21+,22?/m0/s1
C22H32O8424.484710600
453830

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3
C22H32O8424.48477800
65845

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17-,18-,19+,20+,21+,22-/m1/s1
C22H32O8424.48477700
97091878

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,22+1
13C22H32O8446.32316600
58783831

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1/i4+1D3,13+1
C2013C2H29D3O8429.48852200
62574503

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15-,17+,18+,19-,20-,21-,22+/m0/s1
C22H32O8424.48472200
5442217

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15-,17-,18-,19-,20-,21-,22+/m1/s1
C22H32O8424.48472200
21470215

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15-,17+,18-,19?,20-,21-,22?/m0/s1
C22H32O8424.48471100
32765893

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19?,20+,21+,22+/m0/s1
C22H32O8424.48471100
34978306

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17-,18+,19?,20+,21+,22?/m1/s1
C22H32O8424.48471100
50644782

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15?,17+,18+,19?,20+,21+,22?/m0/s1
C22H32O8424.48471100
78434048

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19?,20+,21+,22?/m0/s1
C22H32O8424.48471100
111314602

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m1/s1/i4+1D3,13+1
C2013C2H29D3O8429.48851100
114393887

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15-,17+,18-,19+,20+,21-,22+/m1/s1
C22H32O8424.48471100

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